2-isocyanato-3-[2-(phenylsulfonylamino)phenyl]propanoic acid

Systemtic Name: 2-isocyanato-3-[2-(phenylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[2-(benzenesulfonamido)phenyl]-2-isocyanato-propanoic acid CAS Name: 3-[2-(benzenesulfonamido)phenyl]-2-isocyanatopropanoic acid IUPAC Name: 3-[2-(benzenesulfonamido)phenyl]-2-isocyanatopropanoic acid Traditional Name: 3-[2-(benzenesulfonamido)phenyl]-2-isocyanato-propionic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CC(C(=O)O)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CC(C(=O)O)N=C=O

InChI

InChI=1S/C16H14N2O5S/c19-11-17-15(16(20)21)10-12-6-4-5-9-14(12)18-24(22,23)13-7-2-1-3-8-13/h1-9,15,18H,10H2,(H,20,21)